Molecule

ID:56996

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₆FNO₃
Molecular Mass
289.3015432
Exact Mass
289.1114216
Charge
0
InChI
InChI=1S/C16H16FNO3/c1-3-21-16(20)13-8-18-9(2)4-5-10-6-11(17)7-12(14(10)18)15(13)19/h6-9H,3-5H2,1-2H3
InChIKey
XEGSXHWRENGBSZ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cn2C(C)CCc3c2c(c1=O)cc(c3)F
Isomeric Smiles
c1(cc2c3c(c1)c(=O)c(cn3C(CC2)C)C(=O)OCC)F
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.152875
LogD (pH = 7.4)
3.152875
Log P
3.152875
Molar Refractivity
77.3913
Polarizability
28.630661
Polar Surface Area
46.61
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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